1-Butene, 3-methyl-
- Formula: C5H10
- Molecular weight: 70.1329
- IUPAC Standard InChI: InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3
- IUPAC Standard InChIKey: YHQXBTXEYZIYOV-UHFFFAOYSA-N
- CAS Registry Number: 563-45-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Isopropylethylene; α-Isoamylene; Vinylisopropyl; 2-Methyl-3-butene; 3-Methyl-1-butene; (CH3)2CHCH=CH2; Isopentene; UN 2371; UN 2561; 3-Methylbutene-1; 3-methylbut-1-ene
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Gas phase thermochemistry data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -6.09 | kcal/mol | N/A | Good and Smith, 1979 | Value computed using ΔfHliquid° value of -51.6±0.62 kj/mol from Good and Smith, 1979 and ΔvapH° value of 26.1 kj/mol from alkenes correlation.; DRB |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 27.5 | 298.15 | Thermodynamics Research Center, 1997 | p=1 bar. Recommended values were calculated from data for lower alkenes by a method of increments (see also [ Kilpatrick J.E., 1946]). The results of two statistical thermodynamics calculations [ Radyuk Z.A., 1973, Durig J.R., 1980] are in much more disagreement with experimental entropies (2.6 and 5.1 J/mol*K for S(298.15 K), respectively) than estimated TRC values.; GT |
| 27.5 | 300. | ||
| 34.2 | 400. | ||
| 40.2 | 500. | ||
| 45.4 | 600. | ||
| 49.7 | 700. | ||
| 53.5 | 800. | ||
| 56.9 | 900. | ||
| 59.8 | 1000. | ||
| 62.1 | 1100. | ||
| 64.3 | 1200. | ||
| 66.2 | 1300. | ||
| 67.9 | 1400. | ||
| 69.3 | 1500. |
References
Go To: Top, Gas phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Good and Smith, 1979
Good, W.D.; Smith, N.K.,
The enthalpies of combustion of the isomeric pentenes in the liquid state. A warning to combustion calorimetrists about sample drying,
J. Chem. Thermodyn., 1979, 11, 111-118. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Kilpatrick J.E., 1946
Kilpatrick J.E.,
Heats, equilibrium constants, and free energies of formation of the monoolefin hydrocarbons,
J. Res. Nat. Bur. Stand, 1946, 36, 559-612. [all data]
Radyuk Z.A., 1973
Radyuk Z.A.,
Equilibrium of isomerization and thermodynamic properties of methylbutenes,
Neftekhimiya, 1973, 13, 356-360. [all data]
Durig J.R., 1980
Durig J.R.,
Torsional spectra of molecules with two internal C3v rotors. 19. Vibrational spectra, torsional potential functions, and conformational and thermodynamic properties of 2-methyl-1-butene,
J. Phys. Chem., 1980, 84, 3554-3561. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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